Chem
J-GLOBAL ID:200907004445151098
Nikkaji number:J1.616.058J
(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3,4,4-trimethyl-1-pentanone
(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3,4,4-トリメチル-1-ペンタノン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C19 H25 NO2 S
Molecular formula furigana:
C19-H25-N-O2-S
Molecular weight:
331.470
InChI:
InChI=1S/C19H25NO2S/c1-14-8-10-16(11-9-14)23(22)18-7-6-12-20(18)17(21)13-15(2)19(3,4)5/h6-12,15H,13H2,1-5H3/t15-,23?/m0/s1
InChI key:
WQTCWTKFSUWWAA-NGMICRHFSA-N
SMILES:
C[C@@H](CC(=O)n1cccc1S(=O)c1ccc(C)cc1)C(C)(C)C
Systematic name (3):
(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3,4,4-トリメチル-1-ペンタノン
(3S)-3,4,4-トリメチル-1-[2-(4-メチルベンゼンスルフィニル)-1H-ピロール-1-イル]ペンタン-1-オン
(3S)-3,4,4-trimethyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]pentan-1-one
Other name (1):
(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3,4,4-trimethyl-1-pentanone
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